[3-(benzenesulfonyl)-3-phenylpropyl]benzene

C21H20O2S — CID 174743657

IUPAC[3-(benzenesulfonyl)-3-phenylpropyl]benzene
SMILESO=S(=O)(c1ccccc1)C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyJJRIWKFAHMJANZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.83
Rot. Bonds6

About [3-(benzenesulfonyl)-3-phenylpropyl]benzene

[3-(benzenesulfonyl)-3-phenylpropyl]benzene (PubChem CID 174743657) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-3-phenylpropyl]benzene.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-3-phenylpropyl]benzene
PubChem CID174743657
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name[3-(benzenesulfonyl)-3-phenylpropyl]benzene
SMILESO=S(=O)(c1ccccc1)C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyJJRIWKFAHMJANZ-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
CID 19070477
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-phenylpropanamide
CID 9184966
2-(benzenesulfonyl)-4-phenylbutanenitrile
CID 14942023
1-[2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzene
CID 11313696
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970
[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate
CID 132604707
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
ethyl 2-(benzenesulfonyl)-4-phenylbutanoate
CID 102448987
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
benzenesulfonyl(phenyl)methanol
CID 174895803

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-3-phenylpropyl]benzene?
The IUPAC name of [3-(benzenesulfonyl)-3-phenylpropyl]benzene (CID 174743657) is [3-(benzenesulfonyl)-3-phenylpropyl]benzene.
What is the SMILES notation for [3-(benzenesulfonyl)-3-phenylpropyl]benzene?
The canonical SMILES for [3-(benzenesulfonyl)-3-phenylpropyl]benzene is O=S(=O)(c1ccccc1)C(CCc1ccccc1)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-3-phenylpropyl]benzene?
The InChIKey is JJRIWKFAHMJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2.
What are the key properties of [3-(benzenesulfonyl)-3-phenylpropyl]benzene?
[3-(benzenesulfonyl)-3-phenylpropyl]benzene has a molecular weight of 336.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-3-phenylpropyl]benzene is sourced from PubChem (CID 174743657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).